N-[6-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-6-oxohexyl]-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanamide
Chemical Structure Depiction of
N-[6-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-6-oxohexyl]-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanamide
N-[6-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-6-oxohexyl]-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanamide
Compound characteristics
| Compound ID: | Y041-1341 |
| Compound Name: | N-[6-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-6-oxohexyl]-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanamide |
| Molecular Weight: | 526.67 |
| Molecular Formula: | C30 H42 N2 O6 |
| Smiles: | CC(C(NCCCCCC(N1CCC2(CCCCC2C1)O)=O)=O)Oc1cc(C)cc2c1C(C)=C(C)C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9831 |
| logD: | 3.9831 |
| logSw: | -4.0032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.555 |
| InChI Key: | NECBSLOSHPMWGW-UHFFFAOYSA-N |